1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol

C18H16ClNO — CID 66257993

IUPAC1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
SMILESCc1cccc(Cl)c1NCc1c(O)ccc2ccccc12
InChIInChI=1S/C18H16ClNO/c1-12-5-4-8-16(19)18(12)20-11-15-14-7-3-2-6-13(14)9-10-17(15)21/h2-10,20-21H,11H2,1H3
InChIKeyYSNYBUOWESGRMD-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.12
Rot. Bonds3

About 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol

1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol (PubChem CID 66257993) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
PubChem CID66257993
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
SMILESCc1cccc(Cl)c1NCc1c(O)ccc2ccccc12
InChIInChI=1S/C18H16ClNO/c1-12-5-4-8-16(19)18(12)20-11-15-14-7-3-2-6-13(14)9-10-17(15)21/h2-10,20-21H,11H2,1H3
InChIKeyYSNYBUOWESGRMD-UHFFFAOYSA-N
XLogP5.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
CID 52939432
2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol
CID 107694475
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
CID 80703405
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol
CID 66252251
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol (CID 66257993) is 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol is Cc1cccc(Cl)c1NCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol?
The InChIKey is YSNYBUOWESGRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-12-5-4-8-16(19)18(12)20-11-15-14-7-3-2-6-13(14)9-10-17(15)21/h2-10,20-21H,11H2,1H3.
What are the key properties of 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol?
1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol has a molecular weight of 297.79 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol is sourced from PubChem (CID 66257993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).